NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445228 |
2kjf   |
16319 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kjf
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 621
_Distance_constraint_stats_list.Viol_count 398
_Distance_constraint_stats_list.Viol_total 252.277
_Distance_constraint_stats_list.Viol_max 0.295
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0317
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 2.268 0.126 6 0 "[ . 1 . 2]"
1 2 VAL 0.078 0.011 9 0 "[ . 1 . 2]"
1 3 ALA 5.745 0.295 4 0 "[ . 1 . 2]"
1 4 TYR 0.047 0.026 11 0 "[ . 1 . 2]"
1 5 GLY 0.064 0.010 2 0 "[ . 1 . 2]"
1 6 ILE 0.256 0.018 14 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.002 0.002 19 0 "[ . 1 . 2]"
1 9 GLY 0.010 0.010 13 0 "[ . 1 . 2]"
1 10 THR 0.064 0.018 14 0 "[ . 1 . 2]"
1 11 ALA 0.103 0.026 5 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LYS 0.008 0.005 15 0 "[ . 1 . 2]"
1 14 VAL 0.313 0.092 14 0 "[ . 1 . 2]"
1 15 VAL 0.181 0.092 14 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.077 0.009 17 0 "[ . 1 . 2]"
1 18 ILE 0.462 0.030 20 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.051 0.038 17 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.193 0.072 11 0 "[ . 1 . 2]"
1 23 THR 0.078 0.018 20 0 "[ . 1 . 2]"
1 24 VAL 0.496 0.045 20 0 "[ . 1 . 2]"
1 25 GLY 0.001 0.001 12 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.285 0.026 16 0 "[ . 1 . 2]"
1 28 ILE 0.140 0.026 16 0 "[ . 1 . 2]"
1 29 SER 0.009 0.007 9 0 "[ . 1 . 2]"
1 30 ILE 0.017 0.007 9 0 "[ . 1 . 2]"
1 31 LEU 0.012 0.007 5 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.012 0.012 2 0 "[ . 1 . 2]"
1 34 VAL 0.441 0.068 11 0 "[ . 1 . 2]"
1 35 THR 0.530 0.068 11 0 "[ . 1 . 2]"
1 36 VAL 0.512 0.059 16 0 "[ . 1 . 2]"
1 37 GLY 0.510 0.059 16 0 "[ . 1 . 2]"
1 38 LEU 0.285 0.070 7 0 "[ . 1 . 2]"
1 39 SER 0.016 0.009 4 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.112 0.017 1 0 "[ . 1 . 2]"
1 42 PHE 0.855 0.045 20 0 "[ . 1 . 2]"
1 43 THR 0.009 0.004 15 0 "[ . 1 . 2]"
1 44 ALA 0.005 0.004 19 0 "[ . 1 . 2]"
1 45 VAL 0.006 0.002 12 0 "[ . 1 . 2]"
1 46 LYS 0.009 0.004 19 0 "[ . 1 . 2]"
1 47 ALA 0.002 0.002 12 0 "[ . 1 . 2]"
1 48 ALA 0.013 0.003 16 0 "[ . 1 . 2]"
1 49 ILE 0.002 0.001 19 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.002 0.001 17 0 "[ . 1 . 2]"
1 52 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.134 0.016 12 0 "[ . 1 . 2]"
1 54 ILE 0.680 0.183 13 0 "[ . 1 . 2]"
1 55 LYS 0.057 0.057 2 0 "[ . 1 . 2]"
1 56 LYS 0.511 0.152 15 0 "[ . 1 . 2]"
1 57 ALA 0.057 0.057 2 0 "[ . 1 . 2]"
1 58 ILE 0.004 0.003 12 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 7.941 0.295 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU HA 1 1 LEU MD1 . . 4.560 3.017 1.959 3.975 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU QD . . 3.480 2.106 1.882 2.470 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 1 LEU MD2 . . 4.560 2.803 1.956 3.807 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 4 TYR HB2 . . 4.450 3.021 2.414 3.755 . 0 0 "[ . 1 . 2]" 1
5 1 1 LEU HA 1 4 TYR HB3 . . 4.450 3.280 2.561 3.823 . 0 0 "[ . 1 . 2]" 1
6 1 1 LEU HA 1 4 TYR QD . . 4.140 3.728 3.209 4.166 0.026 11 0 "[ . 1 . 2]" 1
7 1 1 LEU HA 1 60 LEU QB . . 3.750 3.859 3.848 3.876 0.126 6 0 "[ . 1 . 2]" 1
8 1 1 LEU QB 1 2 VAL H . . 4.110 2.385 2.246 2.465 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU QB 1 6 ILE H . . 5.050 4.245 4.008 4.659 . 0 0 "[ . 1 . 2]" 1
10 1 1 LEU QB 1 6 ILE HB . . 4.150 2.146 1.976 2.600 . 0 0 "[ . 1 . 2]" 1
11 1 1 LEU QB 1 6 ILE MG . . 5.270 2.767 2.566 3.285 . 0 0 "[ . 1 . 2]" 1
12 1 1 LEU QB 1 11 ALA MB . . 3.780 2.453 1.934 3.115 . 0 0 "[ . 1 . 2]" 1
13 1 1 LEU QB 1 58 ILE HA . . 4.520 3.169 2.943 3.490 . 0 0 "[ . 1 . 2]" 1
14 1 1 LEU QB 1 58 ILE MG . . 5.340 4.044 3.814 4.264 . 0 0 "[ . 1 . 2]" 1
15 1 1 LEU HB2 1 11 ALA MB . . 4.640 2.967 2.553 3.447 . 0 0 "[ . 1 . 2]" 1
16 1 1 LEU HB3 1 11 ALA MB . . 4.640 2.667 1.989 3.552 . 0 0 "[ . 1 . 2]" 1
17 1 1 LEU QD 1 2 VAL H . . 4.660 3.888 3.754 3.976 . 0 0 "[ . 1 . 2]" 1
18 1 1 LEU QD 1 11 ALA HA . . 4.020 2.830 1.960 4.026 0.006 14 0 "[ . 1 . 2]" 1
19 1 1 LEU QD 1 11 ALA MB . . 3.780 2.646 1.994 3.641 . 0 0 "[ . 1 . 2]" 1
20 1 1 LEU QD 1 41 VAL QG . . 3.540 3.462 3.100 3.552 0.012 14 0 "[ . 1 . 2]" 1
21 1 1 LEU QD 1 42 PHE QD . . 3.920 2.902 2.053 3.786 . 0 0 "[ . 1 . 2]" 1
22 1 1 LEU QD 1 58 ILE HA . . 3.780 3.275 2.315 3.761 . 0 0 "[ . 1 . 2]" 1
23 1 1 LEU HG 1 42 PHE QD . . 5.500 4.885 4.232 5.502 0.002 15 0 "[ . 1 . 2]" 1
24 1 2 VAL H 1 2 VAL HB . . 3.150 2.577 2.536 2.649 . 0 0 "[ . 1 . 2]" 1
25 1 2 VAL H 1 2 VAL MG2 . . 3.190 2.150 2.024 2.301 . 0 0 "[ . 1 . 2]" 1
26 1 2 VAL H 1 3 ALA H . . 3.520 2.755 2.735 2.811 . 0 0 "[ . 1 . 2]" 1
27 1 2 VAL H 1 3 ALA MB . . 5.050 4.408 4.384 4.468 . 0 0 "[ . 1 . 2]" 1
28 1 2 VAL H 1 4 TYR H . . 4.670 3.904 3.872 3.948 . 0 0 "[ . 1 . 2]" 1
29 1 2 VAL H 1 11 ALA MB . . 5.200 3.639 3.125 3.973 . 0 0 "[ . 1 . 2]" 1
30 1 2 VAL H 1 58 ILE MG . . 4.910 4.064 3.799 4.322 . 0 0 "[ . 1 . 2]" 1
31 1 2 VAL H 1 59 GLN HA . . 4.010 3.778 3.721 3.858 . 0 0 "[ . 1 . 2]" 1
32 1 2 VAL HA 1 2 VAL MG1 . . 3.360 2.319 2.237 2.383 . 0 0 "[ . 1 . 2]" 1
33 1 2 VAL HA 1 2 VAL MG2 . . 3.750 2.388 2.306 2.434 . 0 0 "[ . 1 . 2]" 1
34 1 2 VAL HA 1 5 GLY H . . 4.100 3.646 3.601 3.690 . 0 0 "[ . 1 . 2]" 1
35 1 2 VAL HA 1 6 ILE H . . 4.120 3.601 2.351 4.131 0.011 9 0 "[ . 1 . 2]" 1
36 1 2 VAL HB 1 3 ALA H . . 3.580 2.401 2.371 2.432 . 0 0 "[ . 1 . 2]" 1
37 1 2 VAL HB 1 59 GLN HA . . 4.000 2.570 2.395 2.652 . 0 0 "[ . 1 . 2]" 1
38 1 2 VAL MG1 1 3 ALA H . . 4.170 3.345 3.254 3.458 . 0 0 "[ . 1 . 2]" 1
39 1 2 VAL MG1 1 3 ALA MB . . 4.340 3.971 3.872 4.131 . 0 0 "[ . 1 . 2]" 1
40 1 2 VAL MG1 1 7 ALA HA . . 5.220 4.531 4.277 4.722 . 0 0 "[ . 1 . 2]" 1
41 1 2 VAL MG1 1 8 GLN H . . 4.280 3.779 3.269 4.172 . 0 0 "[ . 1 . 2]" 1
42 1 2 VAL MG1 1 8 GLN HA . . 3.590 3.303 2.600 3.592 0.002 19 0 "[ . 1 . 2]" 1
43 1 2 VAL MG1 1 8 GLN QB . . 4.320 2.576 2.041 3.584 . 0 0 "[ . 1 . 2]" 1
44 1 2 VAL MG1 1 11 ALA MB . . 4.480 4.245 3.614 4.485 0.005 7 0 "[ . 1 . 2]" 1
45 1 2 VAL MG1 1 59 GLN HA . . 4.190 3.845 3.629 3.966 . 0 0 "[ . 1 . 2]" 1
46 1 2 VAL MG2 1 3 ALA H . . 4.670 3.732 3.658 3.778 . 0 0 "[ . 1 . 2]" 1
47 1 2 VAL MG2 1 7 ALA HA . . 5.280 4.796 4.692 4.884 . 0 0 "[ . 1 . 2]" 1
48 1 2 VAL MG2 1 8 GLN H . . 4.700 3.869 3.580 4.412 . 0 0 "[ . 1 . 2]" 1
49 1 2 VAL MG2 1 8 GLN QB . . 5.270 2.591 1.926 4.065 . 0 0 "[ . 1 . 2]" 1
50 1 2 VAL MG2 1 59 GLN HA . . 4.290 2.936 2.738 3.165 . 0 0 "[ . 1 . 2]" 1
51 1 3 ALA H 1 3 ALA MB . . 3.050 2.233 2.223 2.237 . 0 0 "[ . 1 . 2]" 1
52 1 3 ALA H 1 4 TYR H . . 3.700 2.608 2.595 2.620 . 0 0 "[ . 1 . 2]" 1
53 1 3 ALA H 1 5 GLY H . . 4.660 4.420 4.301 4.479 . 0 0 "[ . 1 . 2]" 1
54 1 3 ALA H 1 59 GLN HA . . 4.560 3.648 3.569 3.687 . 0 0 "[ . 1 . 2]" 1
55 1 3 ALA H 1 60 LEU H . . 4.140 4.427 4.414 4.435 0.295 4 0 "[ . 1 . 2]" 1
56 1 3 ALA H 1 60 LEU HA . . 4.180 3.540 3.511 3.612 . 0 0 "[ . 1 . 2]" 1
57 1 3 ALA MB 1 4 TYR H . . 3.880 2.780 2.725 2.829 . 0 0 "[ . 1 . 2]" 1
58 1 3 ALA MB 1 60 LEU HA . . 3.940 2.603 2.534 2.768 . 0 0 "[ . 1 . 2]" 1
59 1 3 ALA MB 1 60 LEU QD . . 3.810 3.339 2.984 3.727 . 0 0 "[ . 1 . 2]" 1
60 1 4 TYR H 1 4 TYR HB2 . . 3.580 2.323 2.106 2.748 . 0 0 "[ . 1 . 2]" 1
61 1 4 TYR H 1 4 TYR QB . . 3.100 2.163 2.085 2.274 . 0 0 "[ . 1 . 2]" 1
62 1 4 TYR H 1 4 TYR HB3 . . 3.580 3.005 2.370 3.481 . 0 0 "[ . 1 . 2]" 1
63 1 4 TYR H 1 4 TYR QD . . 4.720 3.774 2.627 4.212 . 0 0 "[ . 1 . 2]" 1
64 1 4 TYR H 1 5 GLY H . . 3.550 2.604 2.560 2.619 . 0 0 "[ . 1 . 2]" 1
65 1 4 TYR H 1 60 LEU HA . . 4.170 3.999 3.906 4.084 . 0 0 "[ . 1 . 2]" 1
66 1 4 TYR HA 1 4 TYR QD . . 3.680 2.507 2.228 2.968 . 0 0 "[ . 1 . 2]" 1
67 1 4 TYR QD 1 41 VAL QG . . 4.220 2.694 1.889 3.090 . 0 0 "[ . 1 . 2]" 1
68 1 5 GLY H 1 6 ILE HA . . 4.550 4.533 4.471 4.560 0.010 2 0 "[ . 1 . 2]" 1
69 1 5 GLY H 1 6 ILE MD . . 4.880 4.463 3.291 4.736 . 0 0 "[ . 1 . 2]" 1
70 1 5 GLY H 1 6 ILE QG . . 4.240 3.474 2.828 4.246 0.006 12 0 "[ . 1 . 2]" 1
71 1 6 ILE H 1 6 ILE HB . . 3.430 2.632 2.536 2.820 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE H 1 6 ILE QG . . 4.060 2.351 2.027 3.030 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE H 1 6 ILE MG . . 4.390 3.805 3.763 3.910 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE HA 1 6 ILE MD . . 4.280 2.192 1.964 3.883 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE HA 1 6 ILE MG . . 3.650 2.321 2.295 2.381 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE HA 1 7 ALA H . . 2.970 2.190 2.148 2.231 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE HB 1 7 ALA H . . 4.410 4.045 3.924 4.191 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE MD 1 6 ILE MG . . 2.890 2.114 1.980 2.907 0.017 12 0 "[ . 1 . 2]" 1
79 1 6 ILE MD 1 38 LEU QB . . 4.230 3.070 2.454 4.101 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE QG 1 42 PHE QD . . 4.210 4.203 3.980 4.228 0.018 14 0 "[ . 1 . 2]" 1
81 1 6 ILE MG 1 7 ALA H . . 3.660 2.284 1.968 2.610 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE MG 1 10 THR HB . . 3.870 3.315 2.688 3.679 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE MG 1 10 THR MG . . 3.580 3.445 2.710 3.581 0.001 3 0 "[ . 1 . 2]" 1
84 1 6 ILE MG 1 11 ALA H . . 3.580 3.264 2.443 3.512 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE MG 1 11 ALA HA . . 4.180 2.676 2.084 3.184 . 0 0 "[ . 1 . 2]" 1
86 1 6 ILE MG 1 11 ALA MB . . 3.860 2.356 1.926 2.883 . 0 0 "[ . 1 . 2]" 1
87 1 7 ALA H 1 7 ALA MB . . 3.190 2.117 2.028 2.235 . 0 0 "[ . 1 . 2]" 1
88 1 7 ALA H 1 10 THR MG . . 5.280 4.752 3.805 5.207 . 0 0 "[ . 1 . 2]" 1
89 1 7 ALA HA 1 8 GLN H . . 2.990 2.214 2.166 2.288 . 0 0 "[ . 1 . 2]" 1
90 1 7 ALA MB 1 8 GLN H . . 3.630 2.907 2.743 3.064 . 0 0 "[ . 1 . 2]" 1
91 1 7 ALA MB 1 9 GLY H . . 4.460 3.138 2.695 3.476 . 0 0 "[ . 1 . 2]" 1
92 1 7 ALA MB 1 10 THR H . . 3.940 2.303 1.990 2.630 . 0 0 "[ . 1 . 2]" 1
93 1 7 ALA MB 1 10 THR HB . . 3.840 2.327 1.935 2.812 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLN H 1 8 GLN HB2 . . 3.750 3.016 2.198 3.593 . 0 0 "[ . 1 . 2]" 1
95 1 8 GLN H 1 8 GLN QB . . 3.140 2.390 2.176 2.584 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLN H 1 8 GLN HB3 . . 3.750 2.643 2.363 3.596 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLN H 1 8 GLN QG . . 4.510 2.978 1.932 4.004 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLN HA 1 11 ALA H . . 4.320 3.504 3.333 3.915 . 0 0 "[ . 1 . 2]" 1
99 1 8 GLN HA 1 11 ALA MB . . 3.900 2.324 1.979 3.215 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLN QB 1 9 GLY H . . 3.880 2.781 2.192 3.514 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLN QG 1 11 ALA H . . 5.340 5.040 4.627 5.341 0.001 13 0 "[ . 1 . 2]" 1
102 1 9 GLY H 1 10 THR H . . 3.840 2.765 2.552 2.908 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLY QA 1 10 THR HA . . 4.020 4.000 3.986 4.030 0.010 13 0 "[ . 1 . 2]" 1
104 1 9 GLY QA 1 11 ALA H . . 4.760 3.979 3.781 4.315 . 0 0 "[ . 1 . 2]" 1
105 1 10 THR H 1 10 THR HB . . 3.440 2.558 2.490 2.755 . 0 0 "[ . 1 . 2]" 1
106 1 10 THR H 1 11 ALA H . . 3.370 2.465 2.433 2.566 . 0 0 "[ . 1 . 2]" 1
107 1 10 THR HA 1 10 THR MG . . 3.670 2.303 2.167 2.361 . 0 0 "[ . 1 . 2]" 1
108 1 10 THR HA 1 13 LYS H . . 4.280 3.305 3.038 3.573 . 0 0 "[ . 1 . 2]" 1
109 1 10 THR HA 1 13 LYS QB . . 4.360 3.003 2.372 4.365 0.005 15 0 "[ . 1 . 2]" 1
110 1 10 THR HA 1 13 LYS QD . . 4.670 3.504 2.033 4.554 . 0 0 "[ . 1 . 2]" 1
111 1 10 THR HA 1 14 VAL QG . . 4.620 3.925 3.595 4.497 . 0 0 "[ . 1 . 2]" 1
112 1 10 THR HB 1 11 ALA H . . 3.460 2.863 2.460 2.996 . 0 0 "[ . 1 . 2]" 1
113 1 10 THR HB 1 14 VAL QG . . 4.250 3.604 3.331 4.268 0.018 14 0 "[ . 1 . 2]" 1
114 1 10 THR MG 1 11 ALA H . . 4.310 3.734 3.469 4.011 . 0 0 "[ . 1 . 2]" 1
115 1 10 THR MG 1 11 ALA HA . . 4.570 3.813 3.611 4.271 . 0 0 "[ . 1 . 2]" 1
116 1 10 THR MG 1 13 LYS QD . . 5.050 3.410 2.334 4.478 . 0 0 "[ . 1 . 2]" 1
117 1 10 THR MG 1 14 VAL QG . . 3.030 2.123 1.863 3.044 0.014 14 0 "[ . 1 . 2]" 1
118 1 11 ALA H 1 11 ALA MB . . 3.200 2.123 2.031 2.232 . 0 0 "[ . 1 . 2]" 1
119 1 11 ALA H 1 12 GLU H . . 3.990 2.826 2.766 2.922 . 0 0 "[ . 1 . 2]" 1
120 1 11 ALA HA 1 14 VAL H . . 4.090 3.586 3.359 3.815 . 0 0 "[ . 1 . 2]" 1
121 1 11 ALA HA 1 14 VAL HB . . 4.780 3.316 2.204 4.806 0.026 5 0 "[ . 1 . 2]" 1
122 1 11 ALA HA 1 14 VAL QG . . 4.320 2.246 2.004 2.817 . 0 0 "[ . 1 . 2]" 1
123 1 11 ALA MB 1 12 GLU H . . 4.060 2.660 2.280 2.868 . 0 0 "[ . 1 . 2]" 1
124 1 11 ALA MB 1 58 ILE HA . . 4.510 3.256 2.847 3.608 . 0 0 "[ . 1 . 2]" 1
125 1 11 ALA MB 1 58 ILE MG . . 3.850 2.699 2.003 3.262 . 0 0 "[ . 1 . 2]" 1
126 1 12 GLU H 1 12 GLU HB2 . . 4.040 2.326 2.213 2.699 . 0 0 "[ . 1 . 2]" 1
127 1 12 GLU H 1 12 GLU QB . . 3.520 2.258 2.146 2.625 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLU H 1 12 GLU HB3 . . 4.040 3.152 2.730 3.602 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLU H 1 12 GLU QG . . 4.000 3.247 2.055 3.927 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLU H 1 13 LYS H . . 4.030 2.724 2.504 2.923 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLU H 1 15 VAL QG . . 4.800 4.222 3.889 4.481 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLU H 1 58 ILE MG . . 5.140 4.265 3.799 4.705 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLU HA 1 12 GLU QG . . 3.710 2.344 2.285 2.520 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLU HA 1 15 VAL H . . 4.500 3.744 3.635 3.914 . 0 0 "[ . 1 . 2]" 1
135 1 12 GLU HA 1 15 VAL QG . . 3.680 2.516 2.113 2.974 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLU HA 1 58 ILE MD . . 3.980 3.648 2.035 3.979 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLU HA 1 58 ILE QG . . 4.080 3.539 2.791 4.022 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLU QB 1 58 ILE MG . . 5.340 4.263 3.409 5.222 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLU HB2 1 13 LYS H . . 3.990 3.167 2.460 3.796 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLU HB3 1 13 LYS H . . 3.990 2.927 2.210 3.854 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLU QG 1 58 ILE MD . . 3.830 2.982 1.984 3.737 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLU QG 1 58 ILE MG . . 4.570 3.512 2.482 4.192 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLU HG2 1 58 ILE MD . . 4.450 3.616 1.995 4.328 . 0 0 "[ . 1 . 2]" 1
144 1 12 GLU HG3 1 58 ILE MD . . 4.450 3.498 2.351 4.386 . 0 0 "[ . 1 . 2]" 1
145 1 13 LYS H 1 13 LYS HB2 . . 4.120 2.480 2.202 3.593 . 0 0 "[ . 1 . 2]" 1
146 1 13 LYS H 1 13 LYS QB . . 3.550 2.306 2.178 2.584 . 0 0 "[ . 1 . 2]" 1
147 1 13 LYS H 1 13 LYS HB3 . . 4.120 3.163 2.538 3.598 . 0 0 "[ . 1 . 2]" 1
148 1 13 LYS H 1 13 LYS QD . . 5.210 4.068 2.149 4.629 . 0 0 "[ . 1 . 2]" 1
149 1 13 LYS H 1 13 LYS QG . . 4.630 2.997 1.998 3.973 . 0 0 "[ . 1 . 2]" 1
150 1 13 LYS H 1 14 VAL H . . 3.700 2.661 2.561 2.716 . 0 0 "[ . 1 . 2]" 1
151 1 13 LYS HA 1 13 LYS HG2 . . 4.080 2.800 2.212 3.770 . 0 0 "[ . 1 . 2]" 1
152 1 13 LYS HA 1 13 LYS HG3 . . 4.080 2.886 2.228 3.730 . 0 0 "[ . 1 . 2]" 1
153 1 13 LYS QB 1 14 VAL H . . 3.510 2.562 2.243 3.472 . 0 0 "[ . 1 . 2]" 1
154 1 13 LYS HB2 1 14 VAL H . . 4.150 3.069 2.289 3.875 . 0 0 "[ . 1 . 2]" 1
155 1 13 LYS HB3 1 14 VAL H . . 4.150 3.116 2.266 4.032 . 0 0 "[ . 1 . 2]" 1
156 1 14 VAL H 1 14 VAL HB . . 3.620 2.882 2.546 3.614 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL H 1 14 VAL MG1 . . 4.170 3.160 1.922 3.765 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL H 1 14 VAL QG . . 3.210 2.061 1.829 2.224 . 0 0 "[ . 1 . 2]" 1
159 1 14 VAL H 1 14 VAL MG2 . . 4.170 2.281 1.915 3.766 . 0 0 "[ . 1 . 2]" 1
160 1 14 VAL H 1 15 VAL H . . 3.820 2.757 2.663 2.833 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL H 1 16 SER H . . 4.670 4.359 4.196 4.540 . 0 0 "[ . 1 . 2]" 1
162 1 14 VAL HA 1 14 VAL MG1 . . 3.700 2.390 2.174 3.196 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL HA 1 14 VAL MG2 . . 3.700 2.598 2.320 3.199 . 0 0 "[ . 1 . 2]" 1
164 1 14 VAL HA 1 17 LEU H . . 4.570 3.472 3.341 3.604 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL HA 1 17 LEU HB2 . . 5.270 2.932 2.690 3.335 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL HB 1 15 VAL H . . 3.840 3.105 2.458 3.932 0.092 14 0 "[ . 1 . 2]" 1
167 1 14 VAL QG 1 15 VAL HA . . 3.950 3.387 2.990 3.603 . 0 0 "[ . 1 . 2]" 1
168 1 14 VAL QG 1 18 ILE MD . . 3.390 2.785 2.023 3.398 0.008 11 0 "[ . 1 . 2]" 1
169 1 15 VAL H 1 15 VAL HB . . 3.280 2.533 2.460 2.600 . 0 0 "[ . 1 . 2]" 1
170 1 15 VAL H 1 15 VAL QG . . 3.070 2.219 2.121 2.308 . 0 0 "[ . 1 . 2]" 1
171 1 15 VAL H 1 16 SER H . . 3.730 2.767 2.713 2.830 . 0 0 "[ . 1 . 2]" 1
172 1 15 VAL HA 1 15 VAL MG1 . . 3.590 2.373 2.304 2.439 . 0 0 "[ . 1 . 2]" 1
173 1 15 VAL HA 1 15 VAL MG2 . . 3.590 2.327 2.280 2.368 . 0 0 "[ . 1 . 2]" 1
174 1 15 VAL HA 1 18 ILE H . . 4.230 3.264 3.163 3.399 . 0 0 "[ . 1 . 2]" 1
175 1 15 VAL HA 1 18 ILE HB . . 3.970 3.114 2.632 3.392 . 0 0 "[ . 1 . 2]" 1
176 1 15 VAL HA 1 18 ILE MD . . 4.200 2.212 1.962 2.558 . 0 0 "[ . 1 . 2]" 1
177 1 15 VAL HB 1 16 SER H . . 3.670 2.621 2.453 2.856 . 0 0 "[ . 1 . 2]" 1
178 1 15 VAL HB 1 18 ILE MD . . 4.980 4.638 4.394 4.982 0.002 18 0 "[ . 1 . 2]" 1
179 1 15 VAL HB 1 58 ILE QG . . 4.710 4.320 3.550 4.713 0.003 12 0 "[ . 1 . 2]" 1
180 1 15 VAL QG 1 16 SER H . . 3.650 3.182 3.021 3.362 . 0 0 "[ . 1 . 2]" 1
181 1 15 VAL QG 1 18 ILE MD . . 4.260 2.664 2.412 2.989 . 0 0 "[ . 1 . 2]" 1
182 1 15 VAL QG 1 49 ILE MD . . 3.650 3.266 2.530 3.616 . 0 0 "[ . 1 . 2]" 1
183 1 15 VAL QG 1 57 ALA MB . . 3.360 2.876 2.442 3.181 . 0 0 "[ . 1 . 2]" 1
184 1 15 VAL QG 1 58 ILE HA . . 4.000 3.252 2.753 3.657 . 0 0 "[ . 1 . 2]" 1
185 1 15 VAL QG 1 58 ILE QG . . 3.390 2.454 1.842 3.013 . 0 0 "[ . 1 . 2]" 1
186 1 15 VAL MG1 1 16 SER H . . 4.400 3.389 3.147 3.655 . 0 0 "[ . 1 . 2]" 1
187 1 15 VAL MG1 1 57 ALA MB . . 3.840 3.438 2.862 3.738 . 0 0 "[ . 1 . 2]" 1
188 1 15 VAL MG2 1 16 SER H . . 4.400 3.876 3.789 3.993 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL MG2 1 57 ALA MB . . 3.840 3.106 2.557 3.523 . 0 0 "[ . 1 . 2]" 1
190 1 16 SER H 1 16 SER QB . . 3.340 2.253 2.151 2.669 . 0 0 "[ . 1 . 2]" 1
191 1 16 SER H 1 17 LEU H . . 3.750 2.730 2.651 2.788 . 0 0 "[ . 1 . 2]" 1
192 1 16 SER HA 1 18 ILE H . . 5.480 4.229 4.058 4.525 . 0 0 "[ . 1 . 2]" 1
193 1 16 SER HA 1 19 ASN H . . 4.430 3.663 3.554 3.811 . 0 0 "[ . 1 . 2]" 1
194 1 16 SER HA 1 19 ASN HB2 . . 4.620 3.729 2.979 4.322 . 0 0 "[ . 1 . 2]" 1
195 1 16 SER HA 1 19 ASN HB3 . . 4.620 3.619 3.017 4.612 . 0 0 "[ . 1 . 2]" 1
196 1 16 SER QB 1 17 LEU H . . 4.150 2.693 2.528 2.804 . 0 0 "[ . 1 . 2]" 1
197 1 17 LEU H 1 17 LEU HB2 . . 3.190 2.093 2.060 2.162 . 0 0 "[ . 1 . 2]" 1
198 1 17 LEU H 1 17 LEU HB3 . . 4.050 3.346 2.986 3.477 . 0 0 "[ . 1 . 2]" 1
199 1 17 LEU H 1 17 LEU MD1 . . 4.790 3.376 2.627 4.295 . 0 0 "[ . 1 . 2]" 1
200 1 17 LEU H 1 17 LEU QD . . 3.990 2.830 2.383 3.614 . 0 0 "[ . 1 . 2]" 1
201 1 17 LEU H 1 17 LEU MD2 . . 4.790 3.596 2.402 4.397 . 0 0 "[ . 1 . 2]" 1
202 1 17 LEU H 1 18 ILE H . . 3.690 2.529 2.503 2.629 . 0 0 "[ . 1 . 2]" 1
203 1 17 LEU HA 1 17 LEU QD . . 3.390 2.101 1.898 2.746 . 0 0 "[ . 1 . 2]" 1
204 1 17 LEU HA 1 20 ALA MB . . 3.750 2.763 2.527 3.298 . 0 0 "[ . 1 . 2]" 1
205 1 17 LEU HB2 1 18 ILE H . . 3.680 3.138 2.855 3.603 . 0 0 "[ . 1 . 2]" 1
206 1 17 LEU HB2 1 27 ILE MD . . 4.250 3.458 3.087 3.771 . 0 0 "[ . 1 . 2]" 1
207 1 17 LEU HB3 1 18 ILE H . . 4.590 3.264 3.003 3.424 . 0 0 "[ . 1 . 2]" 1
208 1 17 LEU HB3 1 20 ALA H . . 5.200 5.129 4.978 5.201 0.001 19 0 "[ . 1 . 2]" 1
209 1 17 LEU HB3 1 27 ILE MD . . 4.030 2.627 2.506 2.792 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU HB3 1 27 ILE HG12 . . 5.230 5.148 4.876 5.239 0.009 17 0 "[ . 1 . 2]" 1
211 1 17 LEU HB3 1 27 ILE HG13 . . 5.320 5.322 5.307 5.326 0.006 12 0 "[ . 1 . 2]" 1
212 1 17 LEU HB3 1 42 PHE QE . . 5.500 5.170 4.915 5.428 . 0 0 "[ . 1 . 2]" 1
213 1 17 LEU QD 1 20 ALA H . . 4.940 4.649 3.962 4.941 0.001 17 0 "[ . 1 . 2]" 1
214 1 17 LEU QD 1 27 ILE HA . . 5.250 3.711 2.957 4.643 . 0 0 "[ . 1 . 2]" 1
215 1 17 LEU QD 1 30 ILE HB . . 4.880 3.927 2.758 4.882 0.002 8 0 "[ . 1 . 2]" 1
216 1 17 LEU QD 1 30 ILE QG . . 3.920 2.819 1.943 3.534 . 0 0 "[ . 1 . 2]" 1
217 1 18 ILE H 1 18 ILE HB . . 3.450 2.653 2.634 2.680 . 0 0 "[ . 1 . 2]" 1
218 1 18 ILE H 1 18 ILE MD . . 4.460 3.568 3.553 3.580 . 0 0 "[ . 1 . 2]" 1
219 1 18 ILE H 1 18 ILE HG12 . . 3.850 3.090 3.014 3.154 . 0 0 "[ . 1 . 2]" 1
220 1 18 ILE H 1 18 ILE HG13 . . 3.850 1.934 1.910 1.947 . 0 0 "[ . 1 . 2]" 1
221 1 18 ILE H 1 18 ILE MG . . 4.270 3.763 3.760 3.765 . 0 0 "[ . 1 . 2]" 1
222 1 18 ILE H 1 27 ILE MD . . 4.650 4.105 3.826 4.613 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE HA 1 18 ILE MG . . 3.680 2.337 2.309 2.358 . 0 0 "[ . 1 . 2]" 1
224 1 18 ILE HA 1 20 ALA H . . 4.770 3.885 3.646 4.046 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE HB 1 19 ASN H . . 3.630 2.479 2.376 2.813 . 0 0 "[ . 1 . 2]" 1
226 1 18 ILE MD 1 18 ILE MG . . 3.520 2.100 2.019 2.144 . 0 0 "[ . 1 . 2]" 1
227 1 18 ILE MD 1 42 PHE QD . . 3.860 3.791 3.612 3.864 0.004 15 0 "[ . 1 . 2]" 1
228 1 18 ILE MD 1 42 PHE QE . . 4.130 2.621 2.277 2.786 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE MD 1 45 VAL HB . . 5.250 4.076 3.796 4.494 . 0 0 "[ . 1 . 2]" 1
230 1 18 ILE MD 1 46 LYS H . . 4.790 4.619 4.315 4.791 0.001 3 0 "[ . 1 . 2]" 1
231 1 18 ILE MD 1 49 ILE MD . . 3.230 2.840 2.145 3.231 0.001 19 0 "[ . 1 . 2]" 1
232 1 18 ILE QG 1 27 ILE MD . . 4.460 2.869 2.509 3.531 . 0 0 "[ . 1 . 2]" 1
233 1 18 ILE QG 1 42 PHE QE . . 3.910 2.065 1.981 2.208 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE MG 1 42 PHE QD . . 4.090 4.101 4.090 4.120 0.030 17 0 "[ . 1 . 2]" 1
235 1 18 ILE MG 1 42 PHE QE . . 3.530 2.764 2.454 3.045 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE MG 1 42 PHE HZ . . 3.900 3.908 3.872 3.930 0.030 20 0 "[ . 1 . 2]" 1
237 1 18 ILE MG 1 46 LYS HA . . 4.190 3.124 2.487 3.676 . 0 0 "[ . 1 . 2]" 1
238 1 18 ILE MG 1 46 LYS QD . . 4.290 3.360 1.916 4.220 . 0 0 "[ . 1 . 2]" 1
239 1 18 ILE MG 1 46 LYS QG . . 4.210 2.441 1.946 4.212 0.002 19 0 "[ . 1 . 2]" 1
240 1 18 ILE MG 1 49 ILE MD . . 2.960 2.273 1.865 2.911 . 0 0 "[ . 1 . 2]" 1
241 1 19 ASN H 1 19 ASN HB2 . . 3.660 2.427 2.191 2.737 . 0 0 "[ . 1 . 2]" 1
242 1 19 ASN H 1 19 ASN QB . . 3.110 2.220 2.149 2.308 . 0 0 "[ . 1 . 2]" 1
243 1 19 ASN H 1 19 ASN HB3 . . 3.660 2.722 2.340 3.564 . 0 0 "[ . 1 . 2]" 1
244 1 19 ASN H 1 20 ALA H . . 3.680 2.676 2.659 2.712 . 0 0 "[ . 1 . 2]" 1
245 1 19 ASN HA 1 21 GLY H . . 4.720 3.639 3.556 3.698 . 0 0 "[ . 1 . 2]" 1
246 1 19 ASN QB 1 20 ALA H . . 3.810 2.939 2.821 3.058 . 0 0 "[ . 1 . 2]" 1
247 1 19 ASN HB2 1 20 ALA H . . 4.450 3.936 3.020 4.246 . 0 0 "[ . 1 . 2]" 1
248 1 19 ASN HB3 1 20 ALA H . . 4.450 3.088 2.906 3.764 . 0 0 "[ . 1 . 2]" 1
249 1 20 ALA H 1 20 ALA MB . . 3.150 2.182 2.078 2.238 . 0 0 "[ . 1 . 2]" 1
250 1 20 ALA H 1 21 GLY H . . 3.310 2.602 2.596 2.610 . 0 0 "[ . 1 . 2]" 1
251 1 20 ALA MB 1 21 GLY H . . 4.020 2.985 2.966 3.035 . 0 0 "[ . 1 . 2]" 1
252 1 20 ALA MB 1 22 LEU H . . 4.470 2.992 2.322 4.508 0.038 17 0 "[ . 1 . 2]" 1
253 1 20 ALA MB 1 22 LEU QB . . 3.790 3.236 2.706 3.790 . 0 0 "[ . 1 . 2]" 1
254 1 20 ALA MB 1 22 LEU QD . . 3.650 2.188 1.796 3.465 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLY H 1 22 LEU H . . 3.600 2.432 2.144 3.126 . 0 0 "[ . 1 . 2]" 1
256 1 22 LEU H 1 22 LEU HB2 . . 4.130 2.569 2.151 3.961 . 0 0 "[ . 1 . 2]" 1
257 1 22 LEU H 1 22 LEU QB . . 3.450 2.348 2.132 3.284 . 0 0 "[ . 1 . 2]" 1
258 1 22 LEU H 1 22 LEU HB3 . . 4.130 3.385 2.321 3.744 . 0 0 "[ . 1 . 2]" 1
259 1 22 LEU H 1 22 LEU QD . . 4.100 2.680 1.882 3.984 . 0 0 "[ . 1 . 2]" 1
260 1 22 LEU H 1 22 LEU HG . . 4.000 3.431 1.949 4.072 0.072 11 0 "[ . 1 . 2]" 1
261 1 22 LEU HA 1 22 LEU QD . . 4.230 2.426 1.974 3.419 . 0 0 "[ . 1 . 2]" 1
262 1 22 LEU HA 1 22 LEU HG . . 4.040 3.220 2.334 3.698 . 0 0 "[ . 1 . 2]" 1
263 1 22 LEU HA 1 23 THR H . . 3.020 2.274 2.146 2.464 . 0 0 "[ . 1 . 2]" 1
264 1 22 LEU QB 1 23 THR MG . . 5.000 4.709 4.233 5.001 0.001 7 0 "[ . 1 . 2]" 1
265 1 22 LEU QB 1 26 SER QB . . 4.250 2.475 1.906 3.294 . 0 0 "[ . 1 . 2]" 1
266 1 22 LEU HB2 1 23 THR H . . 4.290 3.817 2.335 4.291 0.001 14 0 "[ . 1 . 2]" 1
267 1 22 LEU HB3 1 23 THR H . . 4.290 3.096 2.483 3.979 . 0 0 "[ . 1 . 2]" 1
268 1 22 LEU QD 1 23 THR H . . 4.510 3.021 2.319 3.889 . 0 0 "[ . 1 . 2]" 1
269 1 22 LEU QD 1 26 SER QB . . 3.990 2.196 1.743 2.986 . 0 0 "[ . 1 . 2]" 1
270 1 23 THR H 1 23 THR MG . . 3.430 2.613 2.017 2.906 . 0 0 "[ . 1 . 2]" 1
271 1 23 THR H 1 24 VAL H . . 4.620 4.601 4.574 4.618 . 0 0 "[ . 1 . 2]" 1
272 1 23 THR H 1 24 VAL QG . . 5.440 5.326 5.123 5.458 0.018 20 0 "[ . 1 . 2]" 1
273 1 23 THR H 1 26 SER H . . 4.780 3.985 3.591 4.366 . 0 0 "[ . 1 . 2]" 1
274 1 23 THR H 1 26 SER QB . . 3.900 3.416 2.673 3.718 . 0 0 "[ . 1 . 2]" 1
275 1 23 THR HA 1 23 THR MG . . 3.500 2.231 2.051 2.467 . 0 0 "[ . 1 . 2]" 1
276 1 23 THR HA 1 24 VAL H . . 3.180 2.354 2.200 2.508 . 0 0 "[ . 1 . 2]" 1
277 1 23 THR HA 1 24 VAL QG . . 4.690 3.777 3.418 4.233 . 0 0 "[ . 1 . 2]" 1
278 1 23 THR HB 1 24 VAL H . . 3.350 2.550 2.161 3.043 . 0 0 "[ . 1 . 2]" 1
279 1 23 THR HB 1 25 GLY H . . 3.880 2.613 2.354 3.065 . 0 0 "[ . 1 . 2]" 1
280 1 23 THR MG 1 24 VAL H . . 4.420 3.543 3.244 3.820 . 0 0 "[ . 1 . 2]" 1
281 1 24 VAL H 1 24 VAL MG1 . . 3.730 2.340 1.985 3.759 0.029 20 0 "[ . 1 . 2]" 1
282 1 24 VAL H 1 24 VAL QG . . 3.270 2.081 1.905 2.322 . 0 0 "[ . 1 . 2]" 1
283 1 24 VAL H 1 24 VAL MG2 . . 3.730 2.909 2.049 3.766 0.036 6 0 "[ . 1 . 2]" 1
284 1 24 VAL H 1 26 SER H . . 4.950 4.555 4.243 4.770 . 0 0 "[ . 1 . 2]" 1
285 1 24 VAL H 1 27 ILE HG12 . . 4.940 4.543 4.253 4.947 0.007 17 0 "[ . 1 . 2]" 1
286 1 24 VAL H 1 42 PHE QE . . 5.500 5.489 5.307 5.504 0.004 11 0 "[ . 1 . 2]" 1
287 1 24 VAL HA 1 26 SER H . . 4.690 4.227 3.902 4.534 . 0 0 "[ . 1 . 2]" 1
288 1 24 VAL HA 1 27 ILE H . . 4.500 3.289 3.158 3.584 . 0 0 "[ . 1 . 2]" 1
289 1 24 VAL HA 1 27 ILE HB . . 4.010 3.086 2.545 3.847 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL HA 1 27 ILE MD . . 4.170 3.762 3.525 4.145 . 0 0 "[ . 1 . 2]" 1
291 1 24 VAL HA 1 42 PHE QB . . 4.210 3.942 3.270 4.238 0.028 17 0 "[ . 1 . 2]" 1
292 1 24 VAL HA 1 42 PHE QD . . 4.040 3.378 2.811 3.869 . 0 0 "[ . 1 . 2]" 1
293 1 24 VAL HB 1 25 GLY H . . 4.300 3.856 2.870 4.042 . 0 0 "[ . 1 . 2]" 1
294 1 24 VAL HB 1 42 PHE QD . . 4.070 3.674 2.712 4.115 0.045 20 0 "[ . 1 . 2]" 1
295 1 24 VAL QG 1 25 GLY H . . 3.500 2.249 1.975 3.395 . 0 0 "[ . 1 . 2]" 1
296 1 24 VAL QG 1 27 ILE HG12 . . 4.390 3.745 3.077 4.207 . 0 0 "[ . 1 . 2]" 1
297 1 24 VAL QG 1 39 SER QB . . 3.770 2.389 1.829 3.181 . 0 0 "[ . 1 . 2]" 1
298 1 24 VAL QG 1 42 PHE QB . . 4.220 2.064 1.690 2.596 . 0 0 "[ . 1 . 2]" 1
299 1 24 VAL QG 1 42 PHE QD . . 4.080 2.531 1.795 3.555 . 0 0 "[ . 1 . 2]" 1
300 1 24 VAL MG1 1 25 GLY H . . 4.600 3.054 1.981 3.942 . 0 0 "[ . 1 . 2]" 1
301 1 24 VAL MG2 1 25 GLY H . . 4.600 3.083 2.154 3.871 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLY H 1 26 SER H . . 3.770 2.812 2.636 2.926 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLY H 1 27 ILE HG12 . . 4.930 4.684 4.448 4.931 0.001 12 0 "[ . 1 . 2]" 1
304 1 26 SER H 1 26 SER HB2 . . 3.920 2.573 2.093 3.559 . 0 0 "[ . 1 . 2]" 1
305 1 26 SER H 1 26 SER QB . . 3.360 2.240 2.068 2.647 . 0 0 "[ . 1 . 2]" 1
306 1 26 SER H 1 26 SER HB3 . . 3.920 2.881 2.234 3.594 . 0 0 "[ . 1 . 2]" 1
307 1 26 SER H 1 27 ILE H . . 3.750 2.556 2.512 2.612 . 0 0 "[ . 1 . 2]" 1
308 1 26 SER HA 1 29 SER H . . 4.270 3.455 3.365 3.604 . 0 0 "[ . 1 . 2]" 1
309 1 26 SER QB 1 27 ILE H . . 3.800 2.968 2.729 3.535 . 0 0 "[ . 1 . 2]" 1
310 1 26 SER HB2 1 27 ILE H . . 4.370 3.671 2.955 4.174 . 0 0 "[ . 1 . 2]" 1
311 1 26 SER HB3 1 27 ILE H . . 4.370 3.310 2.814 4.108 . 0 0 "[ . 1 . 2]" 1
312 1 27 ILE H 1 27 ILE HB . . 3.160 2.606 2.558 2.639 . 0 0 "[ . 1 . 2]" 1
313 1 27 ILE H 1 27 ILE MD . . 4.070 3.163 3.097 3.262 . 0 0 "[ . 1 . 2]" 1
314 1 27 ILE H 1 27 ILE HG12 . . 3.750 1.978 1.936 2.088 . 0 0 "[ . 1 . 2]" 1
315 1 27 ILE H 1 28 ILE H . . 3.720 2.746 2.658 2.839 . 0 0 "[ . 1 . 2]" 1
316 1 27 ILE H 1 28 ILE HB . . 5.220 4.959 4.835 5.063 . 0 0 "[ . 1 . 2]" 1
317 1 27 ILE H 1 28 ILE QG . . 4.570 4.190 3.966 4.475 . 0 0 "[ . 1 . 2]" 1
318 1 27 ILE H 1 29 SER H . . 4.570 4.084 3.879 4.342 . 0 0 "[ . 1 . 2]" 1
319 1 27 ILE HA 1 27 ILE MD . . 4.220 2.059 1.970 2.114 . 0 0 "[ . 1 . 2]" 1
320 1 27 ILE HA 1 27 ILE MG . . 3.400 2.279 2.223 2.373 . 0 0 "[ . 1 . 2]" 1
321 1 27 ILE HA 1 29 SER H . . 4.630 4.288 4.022 4.519 . 0 0 "[ . 1 . 2]" 1
322 1 27 ILE HA 1 30 ILE H . . 4.550 3.550 3.398 3.744 . 0 0 "[ . 1 . 2]" 1
323 1 27 ILE HA 1 30 ILE HB . . 4.540 3.333 2.786 3.716 . 0 0 "[ . 1 . 2]" 1
324 1 27 ILE HA 1 30 ILE QG . . 4.750 3.372 2.531 4.753 0.003 9 0 "[ . 1 . 2]" 1
325 1 27 ILE HB 1 28 ILE H . . 3.540 2.432 2.264 2.653 . 0 0 "[ . 1 . 2]" 1
326 1 27 ILE HB 1 28 ILE QG . . 4.870 3.133 2.913 3.287 . 0 0 "[ . 1 . 2]" 1
327 1 27 ILE MD 1 42 PHE QD . . 4.110 4.116 4.111 4.121 0.011 6 0 "[ . 1 . 2]" 1
328 1 27 ILE MD 1 42 PHE QE . . 3.880 2.663 2.297 2.930 . 0 0 "[ . 1 . 2]" 1
329 1 27 ILE HG13 1 28 ILE QG . . 5.340 5.265 5.041 5.366 0.026 16 0 "[ . 1 . 2]" 1
330 1 28 ILE H 1 28 ILE HB . . 3.310 2.592 2.548 2.659 . 0 0 "[ . 1 . 2]" 1
331 1 28 ILE H 1 28 ILE MD . . 4.460 3.243 2.856 3.547 . 0 0 "[ . 1 . 2]" 1
332 1 28 ILE H 1 28 ILE QG . . 3.220 1.986 1.932 2.070 . 0 0 "[ . 1 . 2]" 1
333 1 28 ILE H 1 28 ILE MG . . 4.330 3.764 3.760 3.766 . 0 0 "[ . 1 . 2]" 1
334 1 28 ILE H 1 29 SER H . . 3.640 2.720 2.667 2.777 . 0 0 "[ . 1 . 2]" 1
335 1 28 ILE HA 1 28 ILE HG12 . . 4.220 2.816 2.552 3.206 . 0 0 "[ . 1 . 2]" 1
336 1 28 ILE HA 1 28 ILE QG . . 3.630 2.629 2.416 3.034 . 0 0 "[ . 1 . 2]" 1
337 1 28 ILE HA 1 28 ILE HG13 . . 4.220 3.185 2.739 3.764 . 0 0 "[ . 1 . 2]" 1
338 1 28 ILE HA 1 28 ILE MG . . 3.620 2.318 2.234 2.400 . 0 0 "[ . 1 . 2]" 1
339 1 28 ILE HB 1 29 SER H . . 3.660 2.698 2.491 2.812 . 0 0 "[ . 1 . 2]" 1
340 1 28 ILE MD 1 36 VAL HA . . 4.450 2.786 1.897 4.452 0.002 12 0 "[ . 1 . 2]" 1
341 1 28 ILE MD 1 39 SER H . . 4.680 3.604 2.310 4.465 . 0 0 "[ . 1 . 2]" 1
342 1 28 ILE MD 1 39 SER HA . . 4.320 4.021 3.156 4.329 0.009 4 0 "[ . 1 . 2]" 1
343 1 28 ILE MD 1 39 SER QB . . 4.930 2.337 1.899 3.204 . 0 0 "[ . 1 . 2]" 1
344 1 28 ILE QG 1 36 VAL HA . . 4.470 3.714 2.203 4.485 0.015 19 0 "[ . 1 . 2]" 1
345 1 28 ILE MG 1 29 SER H . . 4.030 3.595 3.462 3.710 . 0 0 "[ . 1 . 2]" 1
346 1 28 ILE MG 1 36 VAL HA . . 4.230 3.540 1.906 4.239 0.009 5 0 "[ . 1 . 2]" 1
347 1 29 SER H 1 29 SER QB . . 3.280 2.321 2.157 2.701 . 0 0 "[ . 1 . 2]" 1
348 1 29 SER H 1 30 ILE HA . . 5.370 5.300 5.223 5.377 0.007 9 0 "[ . 1 . 2]" 1
349 1 29 SER QB 1 30 ILE H . . 3.880 2.680 2.326 2.863 . 0 0 "[ . 1 . 2]" 1
350 1 30 ILE H 1 30 ILE HB . . 3.490 2.520 2.495 2.567 . 0 0 "[ . 1 . 2]" 1
351 1 30 ILE H 1 30 ILE MD . . 4.450 3.243 2.238 3.528 . 0 0 "[ . 1 . 2]" 1
352 1 30 ILE H 1 30 ILE HG12 . . 4.130 2.865 2.091 3.907 . 0 0 "[ . 1 . 2]" 1
353 1 30 ILE H 1 30 ILE QG . . 3.450 2.217 2.078 2.755 . 0 0 "[ . 1 . 2]" 1
354 1 30 ILE H 1 30 ILE HG13 . . 4.130 3.037 2.161 3.706 . 0 0 "[ . 1 . 2]" 1
355 1 30 ILE H 1 30 ILE MG . . 4.370 3.770 3.764 3.779 . 0 0 "[ . 1 . 2]" 1
356 1 30 ILE H 1 31 LEU H . . 3.680 2.617 2.425 2.797 . 0 0 "[ . 1 . 2]" 1
357 1 30 ILE H 1 31 LEU QD . . 5.000 4.356 3.668 4.986 . 0 0 "[ . 1 . 2]" 1
358 1 30 ILE H 1 32 GLY H . . 4.720 4.004 3.663 4.230 . 0 0 "[ . 1 . 2]" 1
359 1 30 ILE HA 1 30 ILE MD . . 4.420 2.840 1.975 3.884 . 0 0 "[ . 1 . 2]" 1
360 1 30 ILE HB 1 31 LEU H . . 3.410 2.506 2.162 3.012 . 0 0 "[ . 1 . 2]" 1
361 1 30 ILE MG 1 31 LEU H . . 4.290 3.357 2.992 3.798 . 0 0 "[ . 1 . 2]" 1
362 1 31 LEU H 1 31 LEU QB . . 3.140 2.198 2.071 2.396 . 0 0 "[ . 1 . 2]" 1
363 1 31 LEU H 1 31 LEU QD . . 4.550 2.671 1.913 3.286 . 0 0 "[ . 1 . 2]" 1
364 1 31 LEU HA 1 31 LEU QD . . 3.390 2.212 1.922 2.943 . 0 0 "[ . 1 . 2]" 1
365 1 31 LEU QB 1 32 GLY H . . 3.840 2.711 2.539 3.015 . 0 0 "[ . 1 . 2]" 1
366 1 31 LEU HB2 1 32 GLY H . . 4.540 2.946 2.601 3.652 . 0 0 "[ . 1 . 2]" 1
367 1 31 LEU HB2 1 35 THR MG . . 4.160 2.921 1.946 4.162 0.002 14 0 "[ . 1 . 2]" 1
368 1 31 LEU HB3 1 32 GLY H . . 4.540 3.329 2.654 3.803 . 0 0 "[ . 1 . 2]" 1
369 1 31 LEU HB3 1 35 THR MG . . 4.160 2.664 1.893 4.167 0.007 5 0 "[ . 1 . 2]" 1
370 1 31 LEU QD 1 32 GLY H . . 4.450 4.019 3.667 4.338 . 0 0 "[ . 1 . 2]" 1
371 1 31 LEU QD 1 35 THR MG . . 3.580 2.292 1.808 3.056 . 0 0 "[ . 1 . 2]" 1
372 1 31 LEU MD1 1 35 THR MG . . 4.270 2.818 1.827 4.073 . 0 0 "[ . 1 . 2]" 1
373 1 31 LEU MD2 1 35 THR MG . . 4.270 2.943 1.822 4.268 . 0 0 "[ . 1 . 2]" 1
374 1 31 LEU HG 1 35 THR MG . . 5.310 3.144 1.889 5.313 0.003 12 0 "[ . 1 . 2]" 1
375 1 32 GLY H 1 33 GLY H . . 4.370 2.707 2.300 3.036 . 0 0 "[ . 1 . 2]" 1
376 1 32 GLY QA 1 33 GLY H . . 3.070 2.725 2.547 2.900 . 0 0 "[ . 1 . 2]" 1
377 1 33 GLY H 1 34 VAL H . . 4.390 3.618 1.897 4.402 0.012 2 0 "[ . 1 . 2]" 1
378 1 33 GLY QA 1 35 THR H . . 4.720 3.782 3.049 4.698 . 0 0 "[ . 1 . 2]" 1
379 1 34 VAL H 1 34 VAL HB . . 4.000 3.339 2.590 3.704 . 0 0 "[ . 1 . 2]" 1
380 1 34 VAL H 1 34 VAL QG . . 3.430 2.177 1.930 2.498 . 0 0 "[ . 1 . 2]" 1
381 1 34 VAL HB 1 35 THR H . . 4.300 4.164 2.755 4.368 0.068 11 0 "[ . 1 . 2]" 1
382 1 34 VAL QG 1 35 THR H . . 4.690 3.426 2.215 3.755 . 0 0 "[ . 1 . 2]" 1
383 1 35 THR H 1 35 THR MG . . 3.570 2.751 1.902 3.585 0.015 20 0 "[ . 1 . 2]" 1
384 1 35 THR H 1 36 VAL H . . 3.810 2.557 2.330 2.827 . 0 0 "[ . 1 . 2]" 1
385 1 35 THR H 1 36 VAL QG . . 5.120 3.625 3.325 4.206 . 0 0 "[ . 1 . 2]" 1
386 1 35 THR HA 1 35 THR MG . . 3.480 2.380 1.956 3.207 . 0 0 "[ . 1 . 2]" 1
387 1 35 THR HA 1 36 VAL QG . . 4.700 4.237 3.838 4.615 . 0 0 "[ . 1 . 2]" 1
388 1 35 THR HA 1 38 LEU QD . . 4.310 3.206 1.952 4.313 0.003 12 0 "[ . 1 . 2]" 1
389 1 35 THR HB 1 38 LEU QB . . 4.620 3.711 2.688 4.669 0.049 19 0 "[ . 1 . 2]" 1
390 1 35 THR HB 1 38 LEU QD . . 4.140 3.343 2.195 4.143 0.003 8 0 "[ . 1 . 2]" 1
391 1 36 VAL H 1 36 VAL HB . . 3.730 3.044 2.444 3.614 . 0 0 "[ . 1 . 2]" 1
392 1 36 VAL H 1 36 VAL QG . . 3.540 2.130 1.924 2.556 . 0 0 "[ . 1 . 2]" 1
393 1 36 VAL H 1 37 GLY H . . 4.270 3.376 2.661 4.315 0.045 9 0 "[ . 1 . 2]" 1
394 1 36 VAL HA 1 37 GLY H . . 3.430 2.823 2.184 3.489 0.059 16 0 "[ . 1 . 2]" 1
395 1 36 VAL HA 1 37 GLY QA . . 4.670 4.140 3.897 4.498 . 0 0 "[ . 1 . 2]" 1
396 1 36 VAL HB 1 37 GLY H . . 4.640 3.972 2.993 4.446 . 0 0 "[ . 1 . 2]" 1
397 1 36 VAL QG 1 37 GLY H . . 3.940 3.110 2.104 3.692 . 0 0 "[ . 1 . 2]" 1
398 1 36 VAL MG1 1 37 GLY H . . 4.650 3.534 2.235 4.222 . 0 0 "[ . 1 . 2]" 1
399 1 36 VAL MG2 1 37 GLY H . . 4.650 3.881 2.110 4.369 . 0 0 "[ . 1 . 2]" 1
400 1 37 GLY H 1 38 LEU H . . 3.950 2.501 1.946 3.039 . 0 0 "[ . 1 . 2]" 1
401 1 37 GLY H 1 38 LEU QB . . 4.750 4.283 3.520 4.780 0.030 9 0 "[ . 1 . 2]" 1
402 1 38 LEU H 1 38 LEU QB . . 3.220 2.208 2.069 2.376 . 0 0 "[ . 1 . 2]" 1
403 1 38 LEU H 1 38 LEU MD1 . . 5.090 3.583 2.276 4.213 . 0 0 "[ . 1 . 2]" 1
404 1 38 LEU H 1 38 LEU QD . . 4.460 2.561 1.943 3.741 . 0 0 "[ . 1 . 2]" 1
405 1 38 LEU H 1 38 LEU MD2 . . 5.090 2.952 1.950 4.238 . 0 0 "[ . 1 . 2]" 1
406 1 38 LEU H 1 38 LEU HG . . 4.050 3.563 2.466 4.120 0.070 7 0 "[ . 1 . 2]" 1
407 1 38 LEU H 1 39 SER H . . 3.430 2.601 2.566 2.674 . 0 0 "[ . 1 . 2]" 1
408 1 38 LEU HA 1 38 LEU QD . . 3.700 2.482 1.896 3.358 . 0 0 "[ . 1 . 2]" 1
409 1 38 LEU HA 1 41 VAL MG1 . . 4.490 3.643 1.920 4.493 0.003 9 0 "[ . 1 . 2]" 1
410 1 38 LEU HA 1 41 VAL QG . . 3.690 2.602 1.918 3.413 . 0 0 "[ . 1 . 2]" 1
411 1 38 LEU HA 1 41 VAL MG2 . . 4.490 3.084 1.998 4.501 0.011 13 0 "[ . 1 . 2]" 1
412 1 38 LEU QB 1 39 SER H . . 4.000 3.150 2.777 3.701 . 0 0 "[ . 1 . 2]" 1
413 1 38 LEU QB 1 41 VAL QG . . 4.670 3.415 2.688 4.214 . 0 0 "[ . 1 . 2]" 1
414 1 38 LEU QD 1 41 VAL H . . 4.770 4.398 3.676 4.787 0.017 1 0 "[ . 1 . 2]" 1
415 1 38 LEU QD 1 41 VAL QG . . 3.620 2.918 2.078 3.616 . 0 0 "[ . 1 . 2]" 1
416 1 39 SER H 1 40 GLY H . . 4.040 2.694 2.561 2.878 . 0 0 "[ . 1 . 2]" 1
417 1 39 SER H 1 41 VAL H . . 4.790 4.247 3.944 4.504 . 0 0 "[ . 1 . 2]" 1
418 1 40 GLY H 1 41 VAL H . . 3.840 2.640 2.214 2.808 . 0 0 "[ . 1 . 2]" 1
419 1 40 GLY H 1 42 PHE H . . 4.480 3.987 3.752 4.351 . 0 0 "[ . 1 . 2]" 1
420 1 41 VAL H 1 41 VAL MG1 . . 4.220 2.798 1.911 3.796 . 0 0 "[ . 1 . 2]" 1
421 1 41 VAL H 1 41 VAL QG . . 3.560 2.102 1.906 2.540 . 0 0 "[ . 1 . 2]" 1
422 1 41 VAL H 1 41 VAL MG2 . . 4.220 2.445 2.025 3.814 . 0 0 "[ . 1 . 2]" 1
423 1 41 VAL H 1 42 PHE H . . 3.330 2.168 2.042 2.496 . 0 0 "[ . 1 . 2]" 1
424 1 41 VAL HA 1 44 ALA H . . 4.500 3.372 3.214 3.621 . 0 0 "[ . 1 . 2]" 1
425 1 41 VAL HA 1 44 ALA MB . . 4.320 2.730 2.481 3.194 . 0 0 "[ . 1 . 2]" 1
426 1 41 VAL QG 1 42 PHE H . . 4.140 2.526 2.081 3.431 . 0 0 "[ . 1 . 2]" 1
427 1 41 VAL QG 1 44 ALA MB . . 4.900 3.482 2.565 3.949 . 0 0 "[ . 1 . 2]" 1
428 1 41 VAL QG 1 45 VAL H . . 4.630 4.195 3.390 4.632 0.002 12 0 "[ . 1 . 2]" 1
429 1 41 VAL QG 1 45 VAL QG . . 3.640 2.705 2.248 3.242 . 0 0 "[ . 1 . 2]" 1
430 1 42 PHE H 1 42 PHE HB2 . . 3.390 2.222 2.151 2.370 . 0 0 "[ . 1 . 2]" 1
431 1 42 PHE H 1 42 PHE HB3 . . 3.390 2.898 2.701 3.005 . 0 0 "[ . 1 . 2]" 1
432 1 42 PHE H 1 43 THR H . . 4.050 2.820 2.675 2.933 . 0 0 "[ . 1 . 2]" 1
433 1 42 PHE H 1 43 THR HA . . 5.500 5.389 5.276 5.474 . 0 0 "[ . 1 . 2]" 1
434 1 42 PHE H 1 45 VAL HB . . 5.500 5.367 5.149 5.501 0.001 20 0 "[ . 1 . 2]" 1
435 1 42 PHE HA 1 42 PHE QD . . 3.560 2.842 2.296 3.124 . 0 0 "[ . 1 . 2]" 1
436 1 42 PHE HA 1 43 THR HA . . 4.910 4.825 4.801 4.844 . 0 0 "[ . 1 . 2]" 1
437 1 42 PHE HA 1 45 VAL H . . 4.240 3.433 3.349 3.558 . 0 0 "[ . 1 . 2]" 1
438 1 42 PHE HA 1 45 VAL HB . . 4.110 2.832 2.600 3.053 . 0 0 "[ . 1 . 2]" 1
439 1 42 PHE HA 1 45 VAL QG . . 4.360 2.461 1.990 3.132 . 0 0 "[ . 1 . 2]" 1
440 1 42 PHE HA 1 46 LYS H . . 4.500 4.298 3.892 4.500 0.000 8 0 "[ . 1 . 2]" 1
441 1 42 PHE HB2 1 43 THR H . . 3.680 3.553 3.391 3.683 0.003 8 0 "[ . 1 . 2]" 1
442 1 42 PHE HB3 1 43 THR H . . 3.680 2.501 2.235 2.917 . 0 0 "[ . 1 . 2]" 1
443 1 42 PHE QD 1 43 THR HA . . 4.670 3.721 2.932 4.348 . 0 0 "[ . 1 . 2]" 1
444 1 42 PHE QD 1 46 LYS QB . . 5.340 3.933 3.409 4.766 . 0 0 "[ . 1 . 2]" 1
445 1 42 PHE QE 1 46 LYS QB . . 5.340 4.385 3.549 5.333 . 0 0 "[ . 1 . 2]" 1
446 1 43 THR H 1 43 THR HB . . 3.440 2.907 2.576 3.444 0.004 15 0 "[ . 1 . 2]" 1
447 1 43 THR H 1 43 THR MG . . 4.050 3.137 1.925 3.766 . 0 0 "[ . 1 . 2]" 1
448 1 43 THR H 1 44 ALA H . . 3.430 2.786 2.727 2.830 . 0 0 "[ . 1 . 2]" 1
449 1 43 THR H 1 44 ALA MB . . 4.600 4.355 4.306 4.395 . 0 0 "[ . 1 . 2]" 1
450 1 43 THR HA 1 46 LYS H . . 3.750 3.550 3.348 3.718 . 0 0 "[ . 1 . 2]" 1
451 1 43 THR HA 1 46 LYS QB . . 4.330 3.002 2.535 3.859 . 0 0 "[ . 1 . 2]" 1
452 1 43 THR MG 1 44 ALA H . . 4.640 3.397 2.025 4.146 . 0 0 "[ . 1 . 2]" 1
453 1 44 ALA H 1 44 ALA MB . . 3.060 2.050 2.024 2.159 . 0 0 "[ . 1 . 2]" 1
454 1 44 ALA H 1 45 VAL H . . 3.580 2.636 2.578 2.725 . 0 0 "[ . 1 . 2]" 1
455 1 44 ALA H 1 45 VAL HA . . 5.330 5.245 5.174 5.331 0.001 17 0 "[ . 1 . 2]" 1
456 1 44 ALA H 1 46 LYS H . . 4.400 4.255 4.056 4.404 0.004 19 0 "[ . 1 . 2]" 1
457 1 44 ALA HA 1 45 VAL QG . . 5.060 4.714 4.680 4.757 . 0 0 "[ . 1 . 2]" 1
458 1 44 ALA MB 1 45 VAL H . . 3.560 2.789 2.664 2.896 . 0 0 "[ . 1 . 2]" 1
459 1 44 ALA MB 1 45 VAL QG . . 4.380 3.147 3.016 3.337 . 0 0 "[ . 1 . 2]" 1
460 1 44 ALA MB 1 46 LYS H . . 5.020 4.634 4.460 4.831 . 0 0 "[ . 1 . 2]" 1
461 1 45 VAL H 1 45 VAL HB . . 3.330 2.532 2.512 2.579 . 0 0 "[ . 1 . 2]" 1
462 1 45 VAL H 1 45 VAL MG1 . . 4.270 3.765 3.763 3.768 . 0 0 "[ . 1 . 2]" 1
463 1 45 VAL H 1 45 VAL QG . . 3.300 2.211 2.098 2.315 . 0 0 "[ . 1 . 2]" 1
464 1 45 VAL H 1 45 VAL MG2 . . 4.270 2.227 2.108 2.336 . 0 0 "[ . 1 . 2]" 1
465 1 45 VAL H 1 47 ALA H . . 4.710 4.344 3.913 4.559 . 0 0 "[ . 1 . 2]" 1
466 1 45 VAL H 1 48 ALA H . . 5.290 4.855 4.645 5.005 . 0 0 "[ . 1 . 2]" 1
467 1 45 VAL HA 1 48 ALA H . . 4.270 3.351 3.220 3.508 . 0 0 "[ . 1 . 2]" 1
468 1 45 VAL HA 1 48 ALA MB . . 3.800 2.477 2.181 2.966 . 0 0 "[ . 1 . 2]" 1
469 1 45 VAL HA 1 60 LEU QD . . 4.290 2.976 1.992 4.292 0.002 16 0 "[ . 1 . 2]" 1
470 1 45 VAL HB 1 46 LYS H . . 3.670 2.607 2.358 2.812 . 0 0 "[ . 1 . 2]" 1
471 1 45 VAL QG 1 46 LYS H . . 4.000 3.237 3.093 3.356 . 0 0 "[ . 1 . 2]" 1
472 1 45 VAL QG 1 48 ALA MB . . 4.030 2.910 2.527 3.330 . 0 0 "[ . 1 . 2]" 1
473 1 45 VAL QG 1 57 ALA H . . 5.440 4.565 4.009 5.200 . 0 0 "[ . 1 . 2]" 1
474 1 45 VAL QG 1 57 ALA HA . . 4.250 2.604 1.979 3.226 . 0 0 "[ . 1 . 2]" 1
475 1 45 VAL QG 1 57 ALA MB . . 3.500 2.186 1.884 2.788 . 0 0 "[ . 1 . 2]" 1
476 1 45 VAL QG 1 60 LEU QB . . 3.430 2.222 1.837 2.851 . 0 0 "[ . 1 . 2]" 1
477 1 45 VAL MG1 1 46 LYS H . . 4.780 3.494 3.293 3.659 . 0 0 "[ . 1 . 2]" 1
478 1 45 VAL MG1 1 60 LEU HB2 . . 5.840 3.168 2.646 3.835 . 0 0 "[ . 1 . 2]" 1
479 1 45 VAL MG1 1 60 LEU HB3 . . 5.840 2.676 2.020 3.443 . 0 0 "[ . 1 . 2]" 1
480 1 45 VAL MG2 1 46 LYS H . . 4.780 3.829 3.752 3.903 . 0 0 "[ . 1 . 2]" 1
481 1 45 VAL MG2 1 60 LEU HB2 . . 5.840 3.877 3.291 4.514 . 0 0 "[ . 1 . 2]" 1
482 1 45 VAL MG2 1 60 LEU HB3 . . 5.840 2.569 2.005 3.272 . 0 0 "[ . 1 . 2]" 1
483 1 46 LYS H 1 46 LYS HB2 . . 3.630 2.483 2.182 3.589 . 0 0 "[ . 1 . 2]" 1
484 1 46 LYS H 1 46 LYS QB . . 3.140 2.257 2.125 2.554 . 0 0 "[ . 1 . 2]" 1
485 1 46 LYS H 1 46 LYS HB3 . . 3.630 2.739 2.415 3.589 . 0 0 "[ . 1 . 2]" 1
486 1 46 LYS H 1 46 LYS QD . . 5.360 4.278 3.318 4.557 . 0 0 "[ . 1 . 2]" 1
487 1 46 LYS H 1 46 LYS QG . . 4.010 3.651 1.949 3.995 . 0 0 "[ . 1 . 2]" 1
488 1 46 LYS H 1 47 ALA H . . 3.610 2.847 2.708 2.918 . 0 0 "[ . 1 . 2]" 1
489 1 46 LYS HA 1 46 LYS QG . . 4.020 2.521 2.162 3.343 . 0 0 "[ . 1 . 2]" 1
490 1 46 LYS HA 1 49 ILE H . . 4.510 3.657 3.505 3.808 . 0 0 "[ . 1 . 2]" 1
491 1 46 LYS HA 1 49 ILE MD . . 3.750 2.290 1.976 2.649 . 0 0 "[ . 1 . 2]" 1
492 1 46 LYS QB 1 47 ALA H . . 3.640 2.451 2.276 3.449 . 0 0 "[ . 1 . 2]" 1
493 1 46 LYS QD 1 47 ALA H . . 4.380 4.028 3.046 4.382 0.002 12 0 "[ . 1 . 2]" 1
494 1 46 LYS QE 1 49 ILE MD . . 5.040 4.412 3.176 4.953 . 0 0 "[ . 1 . 2]" 1
495 1 46 LYS QG 1 47 ALA H . . 4.630 3.691 2.158 4.444 . 0 0 "[ . 1 . 2]" 1
496 1 47 ALA H 1 47 ALA MB . . 3.040 2.123 2.029 2.236 . 0 0 "[ . 1 . 2]" 1
497 1 48 ALA H 1 48 ALA MB . . 3.050 2.122 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
498 1 48 ALA H 1 49 ILE H . . 3.630 2.700 2.652 2.763 . 0 0 "[ . 1 . 2]" 1
499 1 48 ALA H 1 51 LYS QB . . 4.740 4.540 4.374 4.741 0.001 2 0 "[ . 1 . 2]" 1
500 1 48 ALA HA 1 51 LYS H . . 4.220 3.326 3.266 3.413 . 0 0 "[ . 1 . 2]" 1
501 1 48 ALA HA 1 51 LYS QB . . 4.450 2.233 2.069 2.462 . 0 0 "[ . 1 . 2]" 1
502 1 48 ALA HA 1 52 GLN H . . 4.200 3.940 3.667 4.061 . 0 0 "[ . 1 . 2]" 1
503 1 48 ALA HA 1 52 GLN QB . . 4.920 4.676 4.449 4.853 . 0 0 "[ . 1 . 2]" 1
504 1 48 ALA MB 1 49 ILE H . . 3.490 2.739 2.516 2.881 . 0 0 "[ . 1 . 2]" 1
505 1 48 ALA MB 1 49 ILE HA . . 4.840 3.766 3.676 3.883 . 0 0 "[ . 1 . 2]" 1
506 1 48 ALA MB 1 57 ALA HA . . 3.930 3.576 3.211 3.928 . 0 0 "[ . 1 . 2]" 1
507 1 48 ALA MB 1 60 LEU QB . . 4.230 4.129 3.871 4.233 0.003 16 0 "[ . 1 . 2]" 1
508 1 48 ALA MB 1 60 LEU QD . . 4.040 2.697 2.127 3.473 . 0 0 "[ . 1 . 2]" 1
509 1 49 ILE H 1 49 ILE HB . . 3.420 2.588 2.579 2.626 . 0 0 "[ . 1 . 2]" 1
510 1 49 ILE H 1 49 ILE QG . . 3.120 1.986 1.932 2.174 . 0 0 "[ . 1 . 2]" 1
511 1 49 ILE H 1 50 ALA H . . 3.720 2.896 2.868 2.906 . 0 0 "[ . 1 . 2]" 1
512 1 49 ILE H 1 51 LYS H . . 4.560 3.829 3.805 3.869 . 0 0 "[ . 1 . 2]" 1
513 1 49 ILE HA 1 49 ILE QG . . 3.740 2.431 2.401 2.461 . 0 0 "[ . 1 . 2]" 1
514 1 49 ILE HA 1 54 ILE HA . . 4.620 3.349 3.176 3.627 . 0 0 "[ . 1 . 2]" 1
515 1 49 ILE HA 1 57 ALA MB . . 4.330 3.523 3.103 3.974 . 0 0 "[ . 1 . 2]" 1
516 1 49 ILE HB 1 49 ILE MD . . 3.550 2.307 2.013 2.396 . 0 0 "[ . 1 . 2]" 1
517 1 49 ILE HB 1 50 ALA H . . 3.590 2.276 2.257 2.337 . 0 0 "[ . 1 . 2]" 1
518 1 49 ILE HB 1 57 ALA MB . . 4.880 4.622 4.243 4.871 . 0 0 "[ . 1 . 2]" 1
519 1 49 ILE MD 1 54 ILE HA . . 4.190 3.249 2.953 3.674 . 0 0 "[ . 1 . 2]" 1
520 1 49 ILE MD 1 54 ILE MG . . 3.090 2.407 1.959 3.074 . 0 0 "[ . 1 . 2]" 1
521 1 49 ILE MD 1 57 ALA H . . 5.500 5.148 4.861 5.332 . 0 0 "[ . 1 . 2]" 1
522 1 49 ILE MD 1 57 ALA MB . . 3.990 2.901 2.621 3.148 . 0 0 "[ . 1 . 2]" 1
523 1 49 ILE QG 1 54 ILE HA . . 4.630 2.221 1.991 2.944 . 0 0 "[ . 1 . 2]" 1
524 1 49 ILE QG 1 54 ILE MG . . 4.480 2.925 1.966 4.031 . 0 0 "[ . 1 . 2]" 1
525 1 49 ILE QG 1 57 ALA H . . 4.900 3.836 3.621 4.032 . 0 0 "[ . 1 . 2]" 1
526 1 49 ILE HG12 1 57 ALA MB . . 3.780 2.234 1.903 2.945 . 0 0 "[ . 1 . 2]" 1
527 1 49 ILE HG13 1 57 ALA MB . . 3.780 2.775 2.277 3.006 . 0 0 "[ . 1 . 2]" 1
528 1 49 ILE MG 1 50 ALA H . . 4.340 3.164 3.139 3.296 . 0 0 "[ . 1 . 2]" 1
529 1 49 ILE MG 1 50 ALA HA . . 4.640 3.325 3.273 3.572 . 0 0 "[ . 1 . 2]" 1
530 1 50 ALA H 1 50 ALA MB . . 3.260 2.099 2.034 2.234 . 0 0 "[ . 1 . 2]" 1
531 1 50 ALA H 1 51 LYS H . . 3.730 2.602 2.581 2.634 . 0 0 "[ . 1 . 2]" 1
532 1 50 ALA MB 1 51 LYS H . . 3.530 2.959 2.878 3.010 . 0 0 "[ . 1 . 2]" 1
533 1 51 LYS H 1 51 LYS QB . . 3.220 2.222 2.139 2.374 . 0 0 "[ . 1 . 2]" 1
534 1 51 LYS H 1 51 LYS QD . . 4.370 3.977 2.294 4.370 . 0 0 "[ . 1 . 2]" 1
535 1 51 LYS H 1 52 GLN H . . 3.530 2.537 2.443 2.707 . 0 0 "[ . 1 . 2]" 1
536 1 51 LYS HA 1 51 LYS QD . . 4.560 2.935 2.120 4.105 . 0 0 "[ . 1 . 2]" 1
537 1 51 LYS QB 1 52 GLN H . . 3.900 2.527 2.142 2.722 . 0 0 "[ . 1 . 2]" 1
538 1 51 LYS QB 1 53 GLY H . . 4.690 4.579 4.260 4.691 0.001 17 0 "[ . 1 . 2]" 1
539 1 52 GLN H 1 52 GLN HB2 . . 4.070 2.499 2.278 2.719 . 0 0 "[ . 1 . 2]" 1
540 1 52 GLN H 1 52 GLN QB . . 3.480 2.458 2.251 2.664 . 0 0 "[ . 1 . 2]" 1
541 1 52 GLN H 1 52 GLN HB3 . . 4.070 3.651 3.516 3.822 . 0 0 "[ . 1 . 2]" 1
542 1 52 GLN H 1 52 GLN QG . . 4.270 3.366 3.016 4.057 . 0 0 "[ . 1 . 2]" 1
543 1 52 GLN H 1 53 GLY H . . 3.020 2.526 2.339 2.724 . 0 0 "[ . 1 . 2]" 1
544 1 52 GLN HA 1 52 GLN QG . . 3.740 2.527 2.177 2.854 . 0 0 "[ . 1 . 2]" 1
545 1 52 GLN QB 1 53 GLY H . . 3.870 2.148 1.969 2.272 . 0 0 "[ . 1 . 2]" 1
546 1 52 GLN QB 1 56 LYS H . . 4.850 4.170 4.050 4.326 . 0 0 "[ . 1 . 2]" 1
547 1 52 GLN QB 1 56 LYS QB . . 3.710 2.608 2.382 2.897 . 0 0 "[ . 1 . 2]" 1
548 1 52 GLN QB 1 56 LYS QG . . 4.390 2.615 1.944 3.780 . 0 0 "[ . 1 . 2]" 1
549 1 52 GLN HB2 1 53 GLY H . . 4.610 2.263 2.005 2.428 . 0 0 "[ . 1 . 2]" 1
550 1 52 GLN HB2 1 56 LYS QB . . 4.270 2.907 2.732 3.106 . 0 0 "[ . 1 . 2]" 1
551 1 52 GLN HB3 1 53 GLY H . . 4.610 2.718 2.468 3.120 . 0 0 "[ . 1 . 2]" 1
552 1 52 GLN HB3 1 56 LYS QB . . 4.270 2.993 2.562 3.597 . 0 0 "[ . 1 . 2]" 1
553 1 53 GLY H 1 54 ILE H . . 4.270 4.276 4.265 4.286 0.016 12 0 "[ . 1 . 2]" 1
554 1 53 GLY HA2 1 54 ILE H . . 3.510 2.306 2.282 2.334 . 0 0 "[ . 1 . 2]" 1
555 1 53 GLY HA3 1 54 ILE H . . 3.510 2.861 2.822 2.893 . 0 0 "[ . 1 . 2]" 1
556 1 54 ILE H 1 54 ILE HG12 . . 3.870 2.215 1.947 3.138 . 0 0 "[ . 1 . 2]" 1
557 1 54 ILE H 1 54 ILE HG13 . . 3.870 2.932 1.944 3.360 . 0 0 "[ . 1 . 2]" 1
558 1 54 ILE H 1 54 ILE MG . . 3.580 2.444 2.009 3.763 0.183 13 0 "[ . 1 . 2]" 1
559 1 54 ILE HA 1 54 ILE MG . . 3.660 2.282 2.188 2.367 . 0 0 "[ . 1 . 2]" 1
560 1 54 ILE HA 1 57 ALA H . . 4.290 3.243 3.146 3.356 . 0 0 "[ . 1 . 2]" 1
561 1 54 ILE HA 1 57 ALA MB . . 3.790 2.419 2.161 2.791 . 0 0 "[ . 1 . 2]" 1
562 1 54 ILE HB 1 57 ALA H . . 5.330 4.984 4.722 5.325 . 0 0 "[ . 1 . 2]" 1
563 1 54 ILE MD 1 54 ILE MG . . 3.110 2.067 1.936 2.982 . 0 0 "[ . 1 . 2]" 1
564 1 54 ILE MG 1 55 LYS H . . 4.040 3.949 3.470 4.040 . 0 0 "[ . 1 . 2]" 1
565 1 54 ILE MG 1 57 ALA H . . 5.500 4.892 4.146 5.094 . 0 0 "[ . 1 . 2]" 1
566 1 55 LYS H 1 55 LYS QB . . 3.190 2.535 2.218 2.610 . 0 0 "[ . 1 . 2]" 1
567 1 55 LYS H 1 55 LYS QG . . 4.220 2.072 1.930 3.940 . 0 0 "[ . 1 . 2]" 1
568 1 55 LYS H 1 56 LYS H . . 3.500 2.805 2.729 2.920 . 0 0 "[ . 1 . 2]" 1
569 1 55 LYS HA 1 58 ILE H . . 4.220 3.672 3.540 3.759 . 0 0 "[ . 1 . 2]" 1
570 1 55 LYS HA 1 58 ILE HB . . 3.970 3.808 3.466 3.964 . 0 0 "[ . 1 . 2]" 1
571 1 55 LYS HA 1 58 ILE MD . . 3.830 2.427 2.131 3.829 . 0 0 "[ . 1 . 2]" 1
572 1 55 LYS QB 1 56 LYS H . . 3.710 3.251 2.362 3.392 . 0 0 "[ . 1 . 2]" 1
573 1 55 LYS QG 1 56 LYS H . . 4.450 2.034 1.928 2.896 . 0 0 "[ . 1 . 2]" 1
574 1 55 LYS QG 1 57 ALA H . . 4.570 4.223 4.114 4.627 0.057 2 0 "[ . 1 . 2]" 1
575 1 56 LYS H 1 56 LYS QB . . 3.140 2.187 2.046 2.309 . 0 0 "[ . 1 . 2]" 1
576 1 56 LYS H 1 56 LYS QG . . 3.820 3.259 2.472 3.972 0.152 15 0 "[ . 1 . 2]" 1
577 1 56 LYS H 1 57 ALA H . . 3.660 2.604 2.576 2.682 . 0 0 "[ . 1 . 2]" 1
578 1 56 LYS HA 1 56 LYS HD2 . . 4.400 3.048 2.028 4.316 . 0 0 "[ . 1 . 2]" 1
579 1 56 LYS HA 1 56 LYS HD3 . . 4.400 3.394 2.000 4.420 0.020 15 0 "[ . 1 . 2]" 1
580 1 56 LYS HA 1 59 GLN H . . 3.990 3.620 3.461 3.727 . 0 0 "[ . 1 . 2]" 1
581 1 56 LYS HA 1 59 GLN QB . . 4.580 3.413 3.041 4.165 . 0 0 "[ . 1 . 2]" 1
582 1 56 LYS QB 1 57 ALA H . . 3.640 2.783 2.630 2.933 . 0 0 "[ . 1 . 2]" 1
583 1 57 ALA H 1 57 ALA MB . . 3.180 2.123 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
584 1 57 ALA H 1 58 ILE H . . 3.620 2.714 2.613 2.774 . 0 0 "[ . 1 . 2]" 1
585 1 57 ALA H 1 58 ILE MD . . 5.500 5.110 4.906 5.307 . 0 0 "[ . 1 . 2]" 1
586 1 57 ALA H 1 58 ILE QG . . 5.150 4.059 3.952 4.155 . 0 0 "[ . 1 . 2]" 1
587 1 57 ALA H 1 60 LEU QD . . 5.440 4.594 4.287 4.991 . 0 0 "[ . 1 . 2]" 1
588 1 57 ALA HA 1 60 LEU H . . 3.880 3.482 3.408 3.558 . 0 0 "[ . 1 . 2]" 1
589 1 57 ALA HA 1 60 LEU HB2 . . 4.500 2.352 2.203 2.537 . 0 0 "[ . 1 . 2]" 1
590 1 57 ALA HA 1 60 LEU QB . . 3.950 2.318 2.169 2.499 . 0 0 "[ . 1 . 2]" 1
591 1 57 ALA HA 1 60 LEU HB3 . . 4.500 3.516 3.244 3.845 . 0 0 "[ . 1 . 2]" 1
592 1 57 ALA HA 1 60 LEU QD . . 4.860 2.910 2.420 3.485 . 0 0 "[ . 1 . 2]" 1
593 1 57 ALA MB 1 58 ILE H . . 3.740 2.697 2.525 2.834 . 0 0 "[ . 1 . 2]" 1
594 1 57 ALA MB 1 60 LEU H . . 4.740 4.520 4.443 4.599 . 0 0 "[ . 1 . 2]" 1
595 1 57 ALA MB 1 60 LEU QB . . 5.130 3.648 3.539 3.761 . 0 0 "[ . 1 . 2]" 1
596 1 58 ILE H 1 58 ILE HB . . 3.510 2.579 2.554 2.614 . 0 0 "[ . 1 . 2]" 1
597 1 58 ILE H 1 58 ILE HG12 . . 4.070 3.259 1.961 3.445 . 0 0 "[ . 1 . 2]" 1
598 1 58 ILE H 1 58 ILE QG . . 3.390 1.993 1.951 2.048 . 0 0 "[ . 1 . 2]" 1
599 1 58 ILE H 1 58 ILE HG13 . . 4.070 2.085 1.979 3.485 . 0 0 "[ . 1 . 2]" 1
600 1 58 ILE H 1 59 GLN H . . 3.400 2.904 2.817 2.953 . 0 0 "[ . 1 . 2]" 1
601 1 58 ILE HA 1 58 ILE MG . . 3.720 2.329 2.280 2.390 . 0 0 "[ . 1 . 2]" 1
602 1 58 ILE HB 1 58 ILE MD . . 3.590 2.359 2.213 3.230 . 0 0 "[ . 1 . 2]" 1
603 1 58 ILE HB 1 59 GLN H . . 3.510 2.218 2.167 2.388 . 0 0 "[ . 1 . 2]" 1
604 1 58 ILE MG 1 59 GLN H . . 4.060 3.138 3.075 3.309 . 0 0 "[ . 1 . 2]" 1
605 1 58 ILE MG 1 59 GLN HA . . 4.540 3.375 3.237 3.496 . 0 0 "[ . 1 . 2]" 1
606 1 58 ILE MG 1 59 GLN QG . . 5.110 3.718 3.277 4.854 . 0 0 "[ . 1 . 2]" 1
607 1 59 GLN H 1 59 GLN QB . . 3.290 2.363 2.047 2.555 . 0 0 "[ . 1 . 2]" 1
608 1 59 GLN H 1 59 GLN HG2 . . 4.310 3.024 2.146 3.829 . 0 0 "[ . 1 . 2]" 1
609 1 59 GLN H 1 59 GLN QG . . 3.630 2.403 1.999 3.514 . 0 0 "[ . 1 . 2]" 1
610 1 59 GLN H 1 59 GLN HG3 . . 4.310 2.993 2.024 4.091 . 0 0 "[ . 1 . 2]" 1
611 1 59 GLN H 1 60 LEU H . . 3.760 2.705 2.647 2.773 . 0 0 "[ . 1 . 2]" 1
612 1 59 GLN HA 1 60 LEU HA . . 4.900 4.791 4.785 4.797 . 0 0 "[ . 1 . 2]" 1
613 1 59 GLN QB 1 60 LEU H . . 3.720 2.942 2.740 3.578 . 0 0 "[ . 1 . 2]" 1
614 1 59 GLN HB2 1 60 LEU H . . 4.270 3.119 2.801 4.123 . 0 0 "[ . 1 . 2]" 1
615 1 59 GLN HB3 1 60 LEU H . . 4.270 3.758 3.015 4.080 . 0 0 "[ . 1 . 2]" 1
616 1 60 LEU H 1 60 LEU HB2 . . 3.520 2.048 2.046 2.055 . 0 0 "[ . 1 . 2]" 1
617 1 60 LEU H 1 60 LEU HB3 . . 3.520 3.264 3.218 3.325 . 0 0 "[ . 1 . 2]" 1
618 1 60 LEU H 1 60 LEU MD1 . . 4.940 3.740 2.792 4.233 . 0 0 "[ . 1 . 2]" 1
619 1 60 LEU H 1 60 LEU QD . . 4.330 3.115 2.733 3.645 . 0 0 "[ . 1 . 2]" 1
620 1 60 LEU H 1 60 LEU MD2 . . 4.940 3.674 2.773 4.174 . 0 0 "[ . 1 . 2]" 1
621 1 60 LEU HA 1 60 LEU QD . . 3.970 2.089 1.847 2.322 . 0 0 "[ . 1 . 2]" 1
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